COMPND HMDB0246073 HETATM 1 C1 UNL 1 -3.344 3.657 -0.499 1.00 0.00 C HETATM 2 O1 UNL 1 -3.649 2.300 -0.413 1.00 0.00 O HETATM 3 C2 UNL 1 -2.709 1.293 -0.309 1.00 0.00 C HETATM 4 C3 UNL 1 -1.382 1.624 -0.286 1.00 0.00 C HETATM 5 C4 UNL 1 -0.452 0.584 -0.180 1.00 0.00 C HETATM 6 O2 UNL 1 0.798 0.882 -0.157 1.00 0.00 O HETATM 7 C5 UNL 1 1.804 0.020 -0.062 1.00 0.00 C HETATM 8 C6 UNL 1 3.153 0.550 -0.049 1.00 0.00 C HETATM 9 C7 UNL 1 3.329 1.912 -0.329 1.00 0.00 C HETATM 10 C8 UNL 1 4.551 2.530 -0.319 1.00 0.00 C HETATM 11 C9 UNL 1 5.686 1.803 -0.021 1.00 0.00 C HETATM 12 C10 UNL 1 5.563 0.461 0.261 1.00 0.00 C HETATM 13 C11 UNL 1 4.292 -0.129 0.239 1.00 0.00 C HETATM 14 C12 UNL 1 1.446 -1.284 0.015 1.00 0.00 C HETATM 15 O3 UNL 1 2.382 -2.296 0.108 1.00 0.00 O HETATM 16 C13 UNL 1 2.788 -2.867 -1.137 1.00 0.00 C HETATM 17 C14 UNL 1 0.109 -1.704 -0.001 1.00 0.00 C HETATM 18 O4 UNL 1 -0.190 -2.922 0.073 1.00 0.00 O HETATM 19 C15 UNL 1 -0.862 -0.733 -0.102 1.00 0.00 C HETATM 20 C16 UNL 1 -2.215 -1.049 -0.127 1.00 0.00 C HETATM 21 O5 UNL 1 -2.594 -2.371 -0.047 1.00 0.00 O HETATM 22 C17 UNL 1 -2.854 -3.051 1.163 1.00 0.00 C HETATM 23 C18 UNL 1 -3.136 -0.029 -0.231 1.00 0.00 C HETATM 24 O6 UNL 1 -4.483 -0.339 -0.257 1.00 0.00 O HETATM 25 C19 UNL 1 -5.268 -0.427 0.915 1.00 0.00 C HETATM 26 H1 UNL 1 -3.097 4.131 0.474 1.00 0.00 H HETATM 27 H2 UNL 1 -4.156 4.243 -1.020 1.00 0.00 H HETATM 28 H3 UNL 1 -2.442 3.829 -1.155 1.00 0.00 H HETATM 29 H4 UNL 1 -1.000 2.639 -0.344 1.00 0.00 H HETATM 30 H5 UNL 1 2.468 2.543 -0.572 1.00 0.00 H HETATM 31 H6 UNL 1 4.665 3.581 -0.538 1.00 0.00 H HETATM 32 H7 UNL 1 6.672 2.259 -0.004 1.00 0.00 H HETATM 33 H8 UNL 1 6.421 -0.150 0.499 1.00 0.00 H HETATM 34 H9 UNL 1 4.270 -1.169 0.489 1.00 0.00 H HETATM 35 H10 UNL 1 3.383 -2.120 -1.668 1.00 0.00 H HETATM 36 H11 UNL 1 1.900 -3.158 -1.745 1.00 0.00 H HETATM 37 H12 UNL 1 3.359 -3.776 -0.882 1.00 0.00 H HETATM 38 H13 UNL 1 -2.489 -4.116 1.101 1.00 0.00 H HETATM 39 H14 UNL 1 -2.350 -2.541 2.003 1.00 0.00 H HETATM 40 H15 UNL 1 -3.935 -3.116 1.379 1.00 0.00 H HETATM 41 H16 UNL 1 -5.646 -1.471 0.984 1.00 0.00 H HETATM 42 H17 UNL 1 -6.132 0.247 0.916 1.00 0.00 H HETATM 43 H18 UNL 1 -4.654 -0.270 1.839 1.00 0.00 H CONECT 1 2 26 27 28 CONECT 2 3 CONECT 3 4 4 23 CONECT 4 5 29 CONECT 5 6 19 19 CONECT 6 7 CONECT 7 8 14 14 CONECT 8 9 9 13 CONECT 9 10 30 CONECT 10 11 11 31 CONECT 11 12 32 CONECT 12 13 13 33 CONECT 13 34 CONECT 14 15 17 CONECT 15 16 CONECT 16 35 36 37 CONECT 17 18 18 19 CONECT 19 20 CONECT 20 21 23 23 CONECT 21 22 CONECT 22 38 39 40 CONECT 23 24 CONECT 24 25 CONECT 25 41 42 43 END